4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide
TL;DR: 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide (CAS 694497-36-4) is a chemical compound with molecular formula C10H5Cl3N2OS and molecular weight 305.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide
Also Known As: 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide, 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide, 4,5-dichloro-N-(4-chlorophenyl)-3-isothiazolecarboxamide, F0921-2795
| Molecular Formula | C10H5Cl3N2OS |
|---|---|
| Molecular Weight | 305.92 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.91882 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 694497-36-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=NSC(=C2Cl)Cl)Cl |
| InChIKey | QOJDCAOSRIVIRG-UHFFFAOYSA-N |
Product Overview
4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide (CAS 694497-36-4), with molecular formula C10H5Cl3N2OS and molecular weight 305.92 g/mol. IUPAC: 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide.
Chemical Property Profile of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide
Property Insights of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide
The XLogP value of 4.4 indicates that 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide. Following Lipinski's Rule of Five, 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide?
The CAS number of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide is 694497-36-4.
What is the molecular formula of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide?
The molecular formula of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide is C10H5Cl3N2OS.
What is the molecular weight of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide?
The molecular weight of 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide is 305.92 g/mol.
Where can I buy 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide?
You can request a quote for 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.